Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040774
Preview
Coordinates | 7040774.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C122 H123 Cl6 Cu4 N47 O25 |
---|---|
Calculated formula | C122 H123 Cl6 Cu4 N47 O25 |
Title of publication | Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes. |
Authors of publication | Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 17770 - 17781 |
a | 16.848 ± 0.004 Å |
b | 15.524 ± 0.004 Å |
c | 27.236 ± 0.006 Å |
α | 90° |
β | 102.622 ± 0.005° |
γ | 90° |
Cell volume | 6951 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0751 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1467 |
Weighted residual factors for all reflections included in the refinement | 0.1632 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040774.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.